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January 1, 2001Journal of Computational Chemistry

A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations

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Authors

VKVincent Kr�utlerETH Zurich
Wilfred F. van Gunsteren
Wilfred F. van GunsterenGoethe University FrankfurtPHPhilippe H. H�nenbergerETH Zurich

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Kr�utler et al. (2001) studied this question.

synapsesocial.com/papers/69d6c115d7b863519aaa7e8ahttps://doi.org/10.1002/1096-987x(20010415)22:5<501::aid-jcc1021>3.0.co;2-v
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